SCHEMBL17362015

SCHEMBL17362015

COc1cc2c(c(OC)c1)C(CN)=CCC2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MPO P05164 1/20 0.44
ACHE P22303 1/20 0.41
CYP1A2 P05177 2/20 0.40
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ABCB1 P08183 2/20 0.36
ELANE P08246 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA6 P23280 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL30558395 0.98 MPO (0.43) MPOACHECYP1A2ALDH1A1CYP3A4
SCHEMBL28459720 0.75 ACHE (0.41) MPOACHECYP1A2ALDH1A1CYP3A4
SCHEMBL15818200 0.73 MPO (0.74) MPOCYP1A2ALDH1A1ABCB1ELANE
Hydrochloric Acid SCHEMBL11078111 0.72 MPO (0.72) MPOCYP1A2ALDH1A1ABCB1ELANE
Hydrochloric Acid SCHEMBL11085129 0.71 ABCB1 (0.51) MPOACHECYP1A2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL11078947 0.69 MPO (0.55) MPOALDH1A1ABCB1
SCHEMBL17361766 0.69 ABCB1 (0.43) MPOCYP1A2ALDH1A1CYP3A4MEN1
SCHEMBL1274286 0.68 ALDH1A1 (0.55) ACHECYP1A2ALDH1A1CYP3A4MEN1
SCHEMBL17361717 0.68 ABCB1 (0.42) MPOCYP1A2ALDH1A1CYP3A4ABCB1
Hydrochloric Acid SCHEMBL30558491 0.68 ABCB1 (0.42) MPOCYP1A2ALDH1A1CYP3A4MEN1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 44 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3160952-B1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RES INC (US) 2020-12-02 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3741749-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-25 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed
EP-3738960-A1 HISTONE DEMETHYLASE INHIBITORS Celgene Quanticel Research, Inc. (US) 2020-11-18 EP disclosed
US-10385047-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-08-20 US disclosed
US-10385047-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2019-08-20 US disclosed
US-10106534-B2 Histone demethylase inhibitors CELGENE QUANTICEL RESEARCH, INC. (US) 2018-10-23 US disclosed
US-20180251458-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. (US) 2018-09-06 US disclosed
US-20160107995-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
US-20160107995-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2016-04-21 US disclosed
US-9242968-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2016-01-26 US disclosed
US-9242968-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2016-01-26 US disclosed
US-9242968-B2 Histone demethylase inhibitors Quanticel Pharmaceuticals, Inc. (US) 2016-01-26 US disclosed
US-20150376169-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-12-31 US disclosed
US-20150376169-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-12-31 US disclosed
US-20150376169-A1 HISTONE DEMETHYLASE INHIBITORS CELGENE QUANTICEL RESEARCH, INC. 2015-12-31 US disclosed
WO-2015200709-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-12-30 WO disclosed
WO-2015200709-A1 HISTONE DEMETHYLASE INHIBITORS Quanticel Pharmaceuticals, Inc. (US) 2015-12-30 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150376169-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6A, KDM1A MPO 996/4885ACHE 1269/4885CYP1A2 2906/4885
US-20180251458-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6A, KDM1A MPO 996/4885ACHE 1269/4885CYP1A2 2906/4885
US-20160107995-A1 HISTONE DEMETHYLASE INHIBITORS KDM1B, KDM6A, KDM1A MPO 996/4885ACHE 1269/4885CYP1A2 2906/4885
US-10106534-B2 Histone demethylase inhibitors KDM1B, KDM6A, KDM1A MPO 996/4885ACHE 1269/4885CYP1A2 2906/4885
US-10385047-B2 Histone demethylase inhibitors KDM1B, KDM6A, KDM1A MPO 996/4885ACHE 1269/4885CYP1A2 2906/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.